1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione

C19H16N3O4+ — CID 78578035

IUPAC1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione
SMILESCOc1ccccc1-c1cc[nH+]c2c1c(=O)[nH]c(=O)n2Cc1ccco1
InChIInChI=1S/C19H15N3O4/c1-25-15-7-3-2-6-13(15)14-8-9-20-17-16(14)18(23)21-19(24)22(17)11-12-5-4-10-26-12/h2-10H,11H2,1H3,(H,21,23,24)/p+1
InChIKeyFBYMZQFAPUIYMK-UHFFFAOYSA-O
MW350.35 g/mol
LogP1.82
Rot. Bonds4

About 1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione

1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione (PubChem CID 78578035) has the molecular formula C19H16N3O4+ and a molecular weight of 350.35 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione
PubChem CID78578035
Molecular FormulaC19H16N3O4+
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione
SMILESCOc1ccccc1-c1cc[nH+]c2c1c(=O)[nH]c(=O)n2Cc1ccco1
InChIInChI=1S/C19H15N3O4/c1-25-15-7-3-2-6-13(15)14-8-9-20-17-16(14)18(23)21-19(24)22(17)11-12-5-4-10-26-12/h2-10H,11H2,1H3,(H,21,23,24)/p+1
InChIKeyFBYMZQFAPUIYMK-UHFFFAOYSA-O
XLogP1.82
TPSA91.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
The IUPAC name of 1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione (CID 78578035) is 1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione is COc1ccccc1-c1cc[nH+]c2c1c(=O)[nH]c(=O)n2Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
The InChIKey is FBYMZQFAPUIYMK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H15N3O4/c1-25-15-7-3-2-6-13(15)14-8-9-20-17-16(14)18(23)21-19(24)22(17)11-12-5-4-10-26-12/h2-10H,11H2,1H3,(H,21,23,24)/p+1.
What are the key properties of 1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione has a molecular weight of 350.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione is sourced from PubChem (CID 78578035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).